(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine

C10H18N2 — CID 156568784

IUPAC(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine
SMILESCC/C=C1/CNN(C)/C1=C/CC
InChIInChI=1S/C10H18N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h6-7,11H,4-5,8H2,1-3H3/b9-6-,10-7+
InChIKeyFCOSEXTXFGBHLD-PCCLLEMOSA-N
MW166.27 g/mol
LogP2.07
Rot. Bonds2

About (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine

(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine (PubChem CID 156568784) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine.

Molecular Properties

Compound Name(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine
PubChem CID156568784
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine
SMILESCC/C=C1/CNN(C)/C1=C/CC
InChIInChI=1S/C10H18N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h6-7,11H,4-5,8H2,1-3H3/b9-6-,10-7+
InChIKeyFCOSEXTXFGBHLD-PCCLLEMOSA-N
XLogP2.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine?
The IUPAC name of (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine (CID 156568784) is (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine.
What is the SMILES notation for (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine?
The canonical SMILES for (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine is CC/C=C1/CNN(C)/C1=C/CC.
What is the InChIKey of (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine?
The InChIKey is FCOSEXTXFGBHLD-PCCLLEMOSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-9-8-11-12(3)10(9)7-5-2/h6-7,11H,4-5,8H2,1-3H3/b9-6-,10-7+.
What are the key properties of (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine?
(4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine has a molecular weight of 166.27 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,5E)-1-methyl-4,5-di(propylidene)pyrazolidine is sourced from PubChem (CID 156568784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).